5-Amino-2-(phenylsulfanyl)benzenecarbonitrile
TL;DR: 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile (CAS 147696-57-9) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-phenylsulfanylbenzonitrile
Also Known As: 5-amino-2-(phenylsulfanyl)benzenecarbonitrile, 5-amino-2-(phenylsulfanyl)benzonitrile, Bionet2_001533, 5-amino-2-phenylsulfanylbenzonitrile, 4-amino-2-cyanophenyl phenyl sulfide
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.29168 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 529.374 |
Chemical Identifiers
| CAS Number | 147696-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)N)C#N |
Product Overview
5-Amino-2-(phenylsulfanyl)benzenecarbonitrile (CAS 147696-57-9), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 5-amino-2-phenylsulfanylbenzonitrile.
Chemical Property Profile of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile
Property Insights of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile
The XLogP value of 3.29168 indicates that 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile?
The CAS number of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile is 147696-57-9.
What is the molecular formula of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile?
The molecular formula of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile is C13H10N2S.
What is the molecular weight of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile?
The molecular weight of 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile is 226.06 g/mol.
Where can I buy 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile?
You can request a quote for 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(phenylsulfanyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.